Glycoside
GD112970
Name:
NoneFormula:
C30H28O8N2SSmiles:
COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)c2C#N)cc1Aglycone:
COc1ccc(-c2cc(-c3ccccc3)[nH]c(=S)c2C#N)cc1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.63 | Num_heavy_atoms: | 41 |
| TPSA: | 126.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD07058
Formula: C19H14ON2S
Smiles:
COc1ccc(-c2cc(-c3ccccc3)[nH]c(=S)c2C#N)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.4 | Num_heavy_atoms: | 23 |
| TPSA: | 48.81 | NumAromaticRings: | 3 |
